3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

C22H24N2O3S — CID 2609669

IUPAC3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(C)cc1-n1c(SC[C@H]2CCCCO2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N2O3S/c1-15-10-11-20(26-2)19(13-15)24-21(25)17-8-3-4-9-18(17)23-22(24)28-14-16-7-5-6-12-27-16/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m1/s1
InChIKeyAMJHTMSIURINSF-MRXNPFEDSA-N
MW396.51 g/mol
LogP4.36
Rot. Bonds5

About 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one (PubChem CID 2609669) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
PubChem CID2609669
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
SMILESCOc1ccc(C)cc1-n1c(SC[C@H]2CCCCO2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N2O3S/c1-15-10-11-20(26-2)19(13-15)24-21(25)17-8-3-4-9-18(17)23-22(24)28-14-16-7-5-6-12-27-16/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m1/s1
InChIKeyAMJHTMSIURINSF-MRXNPFEDSA-N
XLogP4.36
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one with MolForge

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Related Compounds

3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
CID 9360924
3-(3,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)quinazolin-4-one
CID 4812088
4-(2-methoxy-5-methylphenyl)-1-(oxolan-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 112776681
3-(5-methyl-2-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 95737542
3-(2-methoxy-5-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 9329464
2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609797
3-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 18147411
2-(oxolan-2-ylmethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 16533643
3-(2,5-dimethylphenyl)-2-(oxan-2-ylmethylsulfanyl)-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 4225363
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxy-5-methylphenyl)quinazolin-4-one
CID 2467319
3-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 41479726
1-(2-methoxy-5-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)tetrazole
CID 2997968

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one (CID 2609669) is 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one is COc1ccc(C)cc1-n1c(SC[C@H]2CCCCO2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one?
The InChIKey is AMJHTMSIURINSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-10-11-20(26-2)19(13-15)24-21(25)17-8-3-4-9-18(17)23-22(24)28-14-16-7-5-6-12-27-16/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one?
3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one has a molecular weight of 396.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 2609669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).